MMsINC Database Search


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MMsINC code: MMs02277090

Type: Neutral
Formula: C₂₄H₁₇N₅

SMILES:

[nH]1c(c(c(c1-c1ccccc1)-c1nccnc1)-c1nccnc1)-c1ccccc1

InChI:

InChI=1/C24H17N5/c1-3-7-17(8-4-1)23-21(19-15-25-11-13-27-19)22(20-16-26-12-14-28-20)24(29-23)18-9-5-2-6-10-18/h1-16,29H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=136.755 kcal/mol

Physical Properties
Molecular Weight: 375.435 g/mol	logS: -4.37626	SlogP: 5.2627	Reactive groups: 0

Topological Properties
Globularity: 0.0775196	Sterimol/B1: 2.85338	Sterimol/B2: 3.01769	Sterimol/B3: 3.19896
Sterimol/B4: 8.38691	Sterimol/L: 15.2603

Surface and Volume Properties
Accessible surface: 620.489	Positive charged surface: 419.153	Negative charged surface: 201.336	Volume: 371.125
Hydrophobic surface: 554.855	Hydrophilic surface: 65.634

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.